CID 12321963

N-ethylcarbamoyl chloride

Structural Information

Molecular Formula
C3H6ClNO
SMILES
CCNC(=O)Cl
InChI
InChI=1S/C3H6ClNO/c1-2-5-3(4)6/h2H2,1H3,(H,5,6)
InChIKey
PJLHXSBKGRJXHA-UHFFFAOYSA-N
Compound name
N-ethylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

107.013794 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 116.3
[M+Na]+ 130.00301 127.2
[M+NH4]+ 125.04762 124.9
[M+K]+ 145.97695 121.8
[M-H]- 106.00652 116.3
[M+Na-2H]- 127.98846 121.2
[M]+ 107.01325 117.9
[M]- 107.01434 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe